AG0037TP

4765-77-9 | 6-Chloro-4(1H)-Pyrimidinone

AG0037TP

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CAS Number	4765-77-9
Catalog Number	AG0037TP(AGN-PC-0JQDSA)
Chemical Name	6-Chloro-4(1H)-Pyrimidinone
IUPAC Name	4-chloro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
InChI Key	AXFABVAPHSWFMD-UHFFFAOYSA-N
MDL Number	MFCD00233957
Molecular Formula	C4H3ClN2O
Molecular Weight	130.5324
NSC Number	618279
SMILES	O=c1nc[nH]c(c1)Cl
Synonyms	4765-77-9, 6-Chloro-4-hydroxypyrimidine, 6-chloropyrimidin-4-ol, 4-Chloro-6-hydroxypyrimidine, 6-chloropyrimidin-4(1H)-one, 6-Chloropyrimidin-4(3H)-one, 6-Chloro-4(1H)-pyrimidinone, 6-Chloro-4-pyrimidinol, 6-chloro-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 6-chloro-, 6-Chloro-3,4-dihydro-4-oxopyrimidine, zlchem 18, NSC618279, PubChem7030, ACMC-209zty, ACMC-209k9z, AC1L7CD7, 4-hydroxy-6-chloropyrimidine, KSC494A2P, MLS004491792, SCHEMBL858924, 6-chloro-3H-pyrimidin-4-one, PYR091, CHEMBL1983289, CTK3J4027, DTXSID50326843, ZLB0005, AXFABVAPHSWFMD-UHFFFAOYSA-N, ACN-S004619, ACT01376, ANW-30549, ANW-50708, CL0237, FD7369, MFCD00233957, SBB085771, ZINC95100162, AKOS009158422, AKOS024258505, 6-Chloro-3,4-dihydropyrimidine-4-one, AB05055, AC-6200, CS-W002541, GS-6823, NSC-618279, RP19939, 6-chloro-4-hydroxypyrimidine, AldrichCPR, AJ-70305, AK-23859, AN-10287, BR-23859, EN000138, HC210115, NCI60_005512, SC-04738, SMR003288742, SY017399, U855, AB0019500, AB0071902, DB-005390, ST2406479, TC-119294, TL8003235, AM20100191, FT-0600912, MFCD00233957 (97%), M-3436, 765C779, AC-907/25004276, S03-0105, W-202833, C4H3ClN2O, cc-706, CID358318, 4(1H)-Pyrimidinone, 6-chloro- (9CI), 2,4-Dichloro-6-methyl-5-nitro-pyrimidine, A7291, C2368, N/A,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.993g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.531g/mol
Monoisotopic Mass	129.993g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number